1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride

C28H50Cl4N2Si2Ti2 — CID 173284026

IUPAC1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride
SMILESCC1=C(C)C(C)C([Si](C)(C)NC2CCC(N[Si](C)(C)C3=C(C)C(C)=C(C)C3C)CC2)=C1C.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2]
InChIInChI=1S/C28H50N2Si2.4ClH.2Ti/c1-17-18(2)22(6)27(21(17)5)31(9,10)29-25-13-15-26(16-14-25)30-32(11,12)28-23(7)19(3)20(4)24(28)8;;;;;;/h21,23,25-26,29-30H,13-16H2,1-12H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyGMQNWKMWHFZJCT-UHFFFAOYSA-J
MW708.44 g/mol
LogP-4.42
Rot. Bonds6

About 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride

1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride (PubChem CID 173284026) has the molecular formula C28H50Cl4N2Si2Ti2 and a molecular weight of 708.44 g/mol. Its IUPAC name is 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride.

Molecular Properties

Compound Name1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride
PubChem CID173284026
Molecular FormulaC28H50Cl4N2Si2Ti2
Molecular Weight708.44 g/mol
Exact Mass706.12
IUPAC Name1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride
SMILESCC1=C(C)C(C)C([Si](C)(C)NC2CCC(N[Si](C)(C)C3=C(C)C(C)=C(C)C3C)CC2)=C1C.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2]
InChIInChI=1S/C28H50N2Si2.4ClH.2Ti/c1-17-18(2)22(6)27(21(17)5)31(9,10)29-25-13-15-26(16-14-25)30-32(11,12)28-23(7)19(3)20(4)24(28)8;;;;;;/h21,23,25-26,29-30H,13-16H2,1-12H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyGMQNWKMWHFZJCT-UHFFFAOYSA-J
XLogP-4.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500708.44
LogP ≤ 5-4.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride?
The IUPAC name of 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride (CID 173284026) is 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride.
What is the SMILES notation for 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride?
The canonical SMILES for 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride is CC1=C(C)C(C)C([Si](C)(C)NC2CCC(N[Si](C)(C)C3=C(C)C(C)=C(C)C3C)CC2)=C1C.[Cl-].[Cl-].[Cl-].[Cl-].[Ti+2].[Ti+2].
What is the InChIKey of 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride?
The InChIKey is GMQNWKMWHFZJCT-UHFFFAOYSA-J. The full InChI is InChI=1S/C28H50N2Si2.4ClH.2Ti/c1-17-18(2)22(6)27(21(17)5)31(9,10)29-25-13-15-26(16-14-25)30-32(11,12)28-23(7)19(3)20(4)24(28)8;;;;;;/h21,23,25-26,29-30H,13-16H2,1-12H3;4*1H;;/q;;;;;2*+2/p-4.
What are the key properties of 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride?
1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride has a molecular weight of 708.44 g/mol, XLogP of -4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]cyclohexane-1,4-diamine;bis(titanium(2+));tetrachloride is sourced from PubChem (CID 173284026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).